SCHEMBL13020180

SCHEMBL13020180

CC(C)(C)C(=O)Nc1ncnc2c1c(Oc1cccc(Cl)c1)nn2C(C)(C)C

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.48
ALDH1A1 P00352 2/20 0.48
HTT P42858 2/20 0.48
SRC P12931 3/20 0.46
VCP P55072 4/20 0.44
PSMC4 P43686 1/20 0.42
EGFR P00533 5/20 0.40
LMNA P02545 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
BRAF P15056 1/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
LCK P06239 2/20 0.36
ERBB2 P04626 1/20 0.36
KDR P35968 2/20 0.36
P2RY1 P47900 1/20 0.36
CCR4 P51679 2/20 0.35
CYP1A2 P05177 2/20 0.35
CYP2C9 P11712 2/20 0.35
CYP2C19 P33261 2/20 0.35

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL13020171 0.89 KDM4E (0.46) KDM4EALDH1A1HTTSRCVCP
SCHEMBL13020126 0.89 VCP (0.49) KDM4EALDH1A1HTTSRCVCP
SCHEMBL3791047 0.88 VCP (0.46) KDM4EALDH1A1HTTSRCVCP
SCHEMBL13020203 0.86 ALDH1A1 (0.44) KDM4EALDH1A1HTTSRCVCP
SCHEMBL13020124 0.86 ABL1 (0.44) KDM4EALDH1A1HTTSRCVCP
SCHEMBL3788091 0.79 SRC (0.60) SRCEGFRLCKKDRCYP1A2
SCHEMBL13020229 0.72 KDM4E (0.49) KDM4EALDH1A1HTTVCPPSMC4
SCHEMBL13840199 0.68 BTK (0.39) EGFRERBB2KDRCCR4PDGFRA
SCHEMBL13019879 0.68 SRC (0.58) KDM4EALDH1A1HTTSRCEGFR
SCHEMBL13019906 0.68 SRC (0.56) KDM4EALDH1A1HTTSRCEGFR

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100331297-A1 MODULATION OF PROTEIN TRAFFICKING FOLDRX PHARMACEUTICALS, INC. (US) 2010-12-30 US disclosed
US-20100331297-A1 MODULATION OF PROTEIN TRAFFICKING FOLDRX PHARMACEUTICALS, INC. (US) 2010-12-30 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20100331297-A1 MODULATION OF PROTEIN TRAFFICKING RAB1A, COPB1, GOLT1B KDM4E 4425/4885ALDH1A1 3475/4885HTT 187/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.